| Properties | Image |
|---|
| MNX_ID | MNXM1172406 |
 |
| reference | envipathM:...c8454722c906 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | OPXMPUREOJGWAB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-10-13-20-30-44(56)45(57)31-21-18-19-26-38-54(60)63-43(40-61-52(58)36-24-16-11-14-22-33-46-47(64-46)35-27-29-42(55)28-6-3)41-62-53(59)37-25-17-12-15-23-34-49-51(66-49)39-50-48(65-50)32-8-5-2/h10,13,42-51,55-57H,4-9,11-12,14-41H2,1-3H3 |
| SMILES | CCCCC=CCCC(O)C(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-10-13-20-30-44(56)45(57)31-21-18-19-26-38-54(60)63-43(40-61-52(58)36-24-16-11-14-22-33-46-47(64-46)35-27-29-42(55)28-6-3)41-62-53(59)37-25-17-12-15-23-34-49-51(66-49)39-50-48(65-50)32-8-5-2/h10,13,42-51,55-57H,4-9,11-12,14-41H2,1-3H3/b13-10?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:13][CH2:20][CH2:30][CH:44]([CH:45]([CH2:31][CH2:21][CH2:18][CH2:19][CH2:26][CH2:38][C:54](=[O:60])[O:63][CH:43]([CH2:40][O:61][C:52]([CH2:36][CH2:24][CH2:16][CH2:11][CH2:14][CH2:22][CH2:33][CH:46]1[CH:47]([CH2:35][CH2:27][CH2:29][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])[O:64]1)=[O:58])[CH2:41][O:62][C:53]([CH2:37][CH2:25][CH2:17][CH2:12][CH2:15][CH2:23][CH2:34][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:32][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)=[O:59])[OH:57])[OH:56] |
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